1-[6-(2-methylphenoxy)pyrimidin-4-yl]-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[6-(2-methylphenoxy)pyrimidin-4-yl]-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-[6-(2-methylphenoxy)pyrimidin-4-yl]-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-[6-(2-methylphenoxy)-4-pyrimidinyl]-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[6-(2-methylphenoxy)pyrimidin-4-yl]-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-[6-(2-methylphenoxy)pyrimidin-4-yl]-5-propyl-pyrazole-4-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC(=NC=N2)OC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC(=NC=N2)OC3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C18H18N4O3/c1-3-6-14-13(18(23)24)10-21-22(14)16-9-17(20-11-19-16)25-15-8-5-4-7-12(15)2/h4-5,7-11H,3,6H2,1-2H3,(H,23,24)